4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-3-nitro-benzenesulfonamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-13(2)19-26(24,25)16-7-8-17(18(11-16)21(22)23)20-10-9-14-5-3-4-6-15(14)12-20/h3-8,11,13,19H,9-10,12H2,1-2H3